SCHEMBL9657643

SCHEMBL9657643

O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1NCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.42
MAPT P10636 7/20 0.40
TDP1 Q9NUW8 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HIF1A Q16665 1/20 0.38
HPGD P15428 3/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
FLT1 P17948 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9501842 0.85 MAPT (0.54) GLAMAPTTDP1L3MBTL1MAPK1
SCHEMBL3666022 0.81 GPR35 (0.43) GLATDP1ALDH1A1CYP1A2CYP3A4
SCHEMBL1741987 0.81 ALDH1A1 (0.54) MAPTTDP1L3MBTL1ALDH1A1CYP1A2
SCHEMBL9655293 0.81 MAPT (0.41) GLAMAPTTDP1L3MBTL1MAPK1
SCHEMBL9658215 0.81 MEN1 (0.48) MAPTTDP1L3MBTL1MAPK1ALDH1A1
SCHEMBL9655326 0.79 GLA (0.41) GLAMAPTTDP1L3MBTL1MAPK1
SCHEMBL9771645 0.79 GLA (0.45) GLAMAPTALDH1A1POLBMEN1
SCHEMBL4606975 0.78 MAPT (0.49) GLAMAPTTDP1L3MBTL1MAPK1
SCHEMBL11048215 0.78 MAPT (0.52) GLAMAPTTDP1L3MBTL1MAPK1
SCHEMBL10716987 0.77 MAPT (0.48) GLAMAPTALDH1A1CYP1A2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0289782-B1 USE OF 2,6-DINITROANILIN DERIVATIVES IN HAIR DYEING COMPOSITIONS AND NEW 2,6-DINITROANILIN DERIVATIVES Wella Aktiengesellschaft (DE) 1992-03-04 EP claimed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO claimed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP claimed
EP-0289782-B1 USE OF 2,6-DINITROANILIN DERIVATIVES IN HAIR DYEING COMPOSITIONS AND NEW 2,6-DINITROANILIN DERIVATIVES Wella Aktiengesellschaft (DE) 1992-03-04 EP disclosed
US-5030241-A Providing yellow and orange shades, with or without oxidation agent WELLA AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO disclosed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP disclosed